QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: narin on February 10, 2024, 14:46
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Hello
i have checked the tutorial given on the following page: https://docs.quantumatk.com/tutorials/graphene_nanoribbon_device/graphene_nanoribbon_device.html#graphene-nanoribbon-device (https://docs.quantumatk.com/tutorials/graphene_nanoribbon_device/graphene_nanoribbon_device.html#graphene-nanoribbon-device)
the conductance obtained in the given example changes about 20 times for the gate voltages of 0V and -2V. however, the reference paper given here: https://doi.org/10.1021/nl070133j (https://doi.org/10.1021/nl070133j) shows that the conductance changes 2000 times for the gate voltages of 0V and -2V.
What is the source of the big difference between the results given in the reference paper and the tutorial?
thanks.
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Although the tutorial was actually inspired by this paper, the width of the ribbon is quite different. I think that is a major factor. We do use a fast Huckel model in the tutorial vs DFT in the paper, but if the band structure is similar, this should not play a significant role (not orders of magnitude).
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Thanks, I will try by changing the width and report here.